SCHEMBL9564993

SCHEMBL9564993

CC1(C)C(=O)c2ccc(C#N)cc2C(NC(=O)c2ccccn2)C1O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.47
ABCC9 O60706 8/20 0.45
GRM5 P41594 3/20 0.45
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM1 Q13255 1/20 0.38
CRBN Q96SW2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9564991 1.00 GRM4 (0.47) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9564992 1.00 GRM4 (0.47) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9564998 0.88 GRM4 (0.43) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9565006 0.88 GRM4 (0.43) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9565002 0.88 GRM4 (0.43) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9565083 0.84 ABCC9 (0.54) ABCC9KMT2A
SCHEMBL9565077 0.84 ABCC9 (0.54) ABCC9KMT2A
SCHEMBL9565081 0.84 ABCC9 (0.54) ABCC9KMT2A
SCHEMBL9565140 0.84 ABCC9 (0.46) ABCC9KDM4E
SCHEMBL9565138 0.84 ABCC9 (0.46) ABCC9KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed